2-[[4-azanyl-5-(7-methoxy-1-benzofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethylphenyl)ethanamide

Systemtic Name: 2-[[4-azanyl-5-(7-methoxy-1-benzofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethylphenyl)ethanamide Openeye Name: 2-[[4-amino-5-(7-methoxybenzofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethylphenyl)acetamide CAS Name: 2-[[4-amino-5-(7-methoxy-2-benzofuranyl)-1,2,4-triazol-3-yl]thio]-N-(2-ethylphenyl)acetamide IUPAC Name: 2-[[4-amino-5-(7-methoxy-1-benzofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethylphenyl)acetamide Traditional Name: 2-[[4-amino-5-(7-methoxybenzofuran-2-yl)-1,2,4-triazol-3-yl]thio]-N-(2-ethylphenyl)acetamide Formula: C21H21N5O3S MolecularWeight: 423.48814

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)CSC2=NN=C(N2N)C3=CC4=C(O3)C(=CC=C4)OC

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CSC2=NN=C(N2N)C3=CC4=C(O3)C(=CC=C4)OC

InChI

InChI=1S/C21H21N5O3S/c1-3-13-7-4-5-9-15(13)23-18(27)12-30-21-25-24-20(26(21)22)17-11-14-8-6-10-16(28-2)19(14)29-17/h4-11H,3,12,22H2,1-2H3,(H,23,27)